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4-{2-[5-(2,4-Dichlorobenzylidene)-2,4-dioxothiazolidin-3-yl]-acetamido}benzoic acid
SpectraBase Compound ID I3DCuOd3P4Z
InChI InChI=1S/C19H12Cl2N2O5S/c20-12-4-1-11(14(21)8-12)7-15-17(25)23(19(28)29-15)9-16(24)22-13-5-2-10(3-6-13)18(26)27/h1-8H,9H2,(H,22,24)(H,26,27)
InChIKey MXUMKMPBFKCQAO-UHFFFAOYSA-N
Mol Weight 451.28 g/mol
Molecular Formula C19H12Cl2N2O5S
Exact Mass 449.984398 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H2aTlcZjtY3
Name 4-{2-[5-(2,4-Dichlorobenzylidene)-2,4-dioxothiazolidin-3-yl]-acetamido}benzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H12Cl2N2O5S
InChI InChI=1S/C19H12Cl2N2O5S/c20-12-4-1-11(14(21)8-12)7-15-17(25)23(19(28)29-15)9-16(24)22-13-5-2-10(3-6-13)18(26)27/h1-8H,9H2,(H,22,24)(H,26,27)
InChIKey MXUMKMPBFKCQAO-UHFFFAOYSA-N
Instrument Name Thermo Scientific GCMS model ISQ LT
Ionization Type EI
Literature Reference DOI 10.1002/ardp.202000491
Molecular Weight 451.280 g/mol
SMILES N(C(CN1C(C(=Cc2c(cc(cc2)Cl)Cl)SC1=O)=O)=O)c1ccc(C(=O)O)cc1
SPLASH splash10-0006-0090000000-e4d8a61094c43acd91af
Source of Spectrum APC-354-SM41-18
Wiley ID 1853423